Execution Time167.03s

Test: UNRES_CSA_local (Passed)
Build: Linux-pgi-MPI E0LL2Y (dell15) on 2018-10-04 04:09:16
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


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Test output
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries, 
but each of them failed.  CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with 
--mca mpi_cuda_support 0 to suppress this message.  If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
 Processor            1  out of            4  rank in CG_COMM            1 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
 Processor            3  out of            4  rank in CG_COMM            3 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
 Processor            0  out of            4  rank in CG_COMM            0 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
 Processor            2  out of            4  rank in CG_COMM            2 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
            0  size of FG_COMM1            1
Inside initializeInside initializeInside initializeInside initialize MPI: node=             1  iseed=                  -6119485
 MPI: node=             3  iseed=                 -12238971
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Call Read_Bridge.
 ns=            0
 Processor            1            0            0  ivec_start            1 
  ivec_end           21
 Processor            3            0            0  ivec_start            1 
  ivec_end           21
 MPI: node=             0  iseed=                  -3059742
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            0            0            0  ivec_start            1 
  ivec_end           21
 MPI: node=             2  iseed=                  -9179228
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            2            0            0  ivec_start            1 
  ivec_end           21
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
[dell15:116035] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:116035] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
 UPDATING           100          100
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 UPDATING           100          100
 End of minim, proc            3 time     33.99667191505432     
 End of minim, proc            2 time     33.99670100212097     
 End of minim, proc            1 time     34.01457285881042     
 End of cycle, master time for            27  iters     34.01055598258972      
 sec, Eval/s     14998.31406052653     
 UPDATING             3            4
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
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 UPDATING           100          100
 UPDATING           100          100
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 UPDATING           100          100
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 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
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 UPDATING           100          100
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 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            1 time     79.68448495864868     
 End of minim, proc            2 time     79.68452191352844     
 End of minim, proc            3 time     79.69191312789917     
 End of cycle, master time for            29  iters     42.68708801269531      
 sec, Eval/s     13700.86429475028     
 UPDATING             3            4
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            2 time     114.0748391151428     
 End of minim, proc            1 time     114.0748689174652     
 End of cycle, master time for            21  iters     30.88900899887085      
 sec, Eval/s     13583.11624744379     
 End of minim, proc            3 time     114.0761060714722     
 UPDATING             3            4
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
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 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
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 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            1 time     163.7798149585724     
 End of minim, proc            3 time     163.7798418998718     
 End of cycle, master time for            32  iters     46.38599014282227      
 sec, Eval/s     13539.64845993880     
 End of minim, proc            2 time     163.7826230525970     
 UPDATING             3            4
 End of RUN, master time     163.7873680591583      sec, Eval/s  
    13910.83468156750     
CG processor   2 is finishing work.
CG processor   0 is finishing work.
CG processor   3 is finishing work.
CG processor   1 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin=  -200.13486
Emin=  -200.13486
Emin=  -200.13486
Emin=  -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19537 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64329 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77537 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85425 m    106 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107666 m    188 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133158 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149435 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153678 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162108 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184422 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    185151 m    432 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    210096 m    500 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    235060 m    586 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    241700 m    612 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    256426 m    657 rms  2.13 %NC  53.3     ENERGY    -1.99551E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    262945 m    689 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    270941 m    717 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    277893 m    748 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    316332 m    883 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    370014 m   1064 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    388929 m   1129 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    443751 m   1318 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    447052 m   1335 rms  3.28 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    477565 m   1436 rms  3.29 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    480256 m   1447 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    537221 m   1645 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    622066 m   1771 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19537 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    653272 m   1861 rms  3.29 %NC  46.7     ENERGY    -1.99999E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    665930 m   1905 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    686957 m   1947 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64329 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    750423 m   2150 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77537 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    782393 m   2246 rms  3.38 %NC  46.7     ENERGY    -2.00131E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85425 m    106 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    803513 m   2312 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    810993 m   2337 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107666 m    188 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    833572 m   2419 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    872349 m   2550 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133158 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    909590 m   2660 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149435 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    928245 m   2724 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153678 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1134836 m   3323 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e   1166737 m   3430 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162108 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184422 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    185151 m    432 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    210096 m    500 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    235060 m    586 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    241700 m    612 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    256426 m    657 rms  2.13 %NC  53.3     ENERGY    -1.99551E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    262945 m    689 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    270941 m    717 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    277893 m    748 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    316332 m    883 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    370014 m   1064 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    388929 m   1129 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    443751 m   1318 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    447052 m   1335 rms  3.28 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    477565 m   1436 rms  3.29 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    480256 m   1447 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    537221 m   1645 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    622066 m   1771 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    653272 m   1861 rms  3.29 %NC  46.7     ENERGY    -1.99999E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    665930 m   1905 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    686957 m   1947 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    750423 m   2150 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    782393 m   2246 rms  3.38 %NC  46.7     ENERGY    -2.00131E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    803513 m   2312 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    810993 m   2337 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    833572 m   2419 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    872349 m   2550 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    909590 m   2660 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    928245 m   2724 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1134836 m   3323 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e   1166737 m   3430 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      5513 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19537 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      6239 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@003.pdb:REMARK GM  3 e     19537 m      5 rms  3.48 %NC  46.7     ENERGY    -1.87711E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64329 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@004.pdb:REMARK GM  4 e     52555 m     20 rms  2.40 %NC  46.7     ENERGY    -1.87758E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77537 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@005.pdb:REMARK GM  5 e     64329 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77537 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85425 m    106 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@008.pdb:REMARK GM  8 e     85425 m    106 rms  2.46 %NC  46.7     ENERGY    -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@009.pdb:REMARK GM  9 e     93504 m    136 rms  2.47 %NC  46.7     ENERGY    -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107666 m    188 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e    107666 m    188 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e    132371 m    256 rms  2.30 %NC  46.7     ENERGY    -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133158 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133158 m    258 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149435 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153678 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149435 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153678 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162108 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161648 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184422 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    185151 m    432 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162108 m    356 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    210096 m    500 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184422 m    429 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    235060 m    586 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    185151 m    432 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    241700 m    612 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    210096 m    500 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    256426 m    657 rms  2.13 %NC  53.3     ENERGY    -1.99551E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    262945 m    689 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    235060 m    586 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    270941 m    717 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    241700 m    612 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    277893 m    748 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    256426 m    657 rms  2.13 %NC  53.3     ENERGY    -1.99551E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    316332 m    883 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    370014 m   1064 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    262945 m    689 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    388929 m   1129 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    270941 m    717 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    443751 m   1318 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    277893 m    748 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    447052 m   1335 rms  3.28 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    316332 m    883 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    477565 m   1436 rms  3.29 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    370014 m   1064 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    480256 m   1447 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    388929 m   1129 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    537221 m   1645 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    622066 m   1771 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    443751 m   1318 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    653272 m   1861 rms  3.29 %NC  46.7     ENERGY    -1.99999E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    447052 m   1335 rms  3.28 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    665930 m   1905 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    477565 m   1436 rms  3.29 %NC  46.7     ENERGY    -1.99801E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    686957 m   1947 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    750423 m   2150 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    480256 m   1447 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    782393 m   2246 rms  3.38 %NC  46.7     ENERGY    -2.00131E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    537221 m   1645 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    803513 m   2312 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    622066 m   1771 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    810993 m   2337 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    653272 m   1861 rms  3.29 %NC  46.7     ENERGY    -1.99999E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    833572 m   2419 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    872349 m   2550 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    665930 m   1905 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    909590 m   2660 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    686957 m   1947 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    928245 m   2724 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    750423 m   2150 rms  3.28 %NC  46.7     ENERGY    -2.00001E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1134836 m   3323 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e   1166737 m   3430 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    782393 m   2246 rms  3.38 %NC  46.7     ENERGY    -2.00131E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    803513 m   2312 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    810993 m   2337 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e    833572 m   2419 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e    872349 m   2550 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e    909590 m   2660 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e    928245 m   2724 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e   1134836 m   3323 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e   1166737 m   3430 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02